7-methyl-N3-(1-oxidanyl-3-phenyl-propan-2-yl)thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide

Systemtic Name: 7-methyl-N3-(1-oxidanyl-3-phenyl-propan-2-yl)thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide Openeye Name: N3-(1-benzyl-2-hydroxy-ethyl)-7-methyl-thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide CAS Name: N3-(1-hydroxy-3-phenylpropan-2-yl)-7-methylthieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide IUPAC Name: 3-N-(1-hydroxy-3-phenylpropan-2-yl)-7-methylthieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide Traditional Name: N-(1-benzyl-2-hydroxy-ethyl)-7-methyl-thieno[2,3-b]pyridin-7-ium-3,5-dicarboxamide Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C(=CC(=C1)C(=O)N)C(=CS2)C(=O)NC(CC3=CC=CC=C3)CO

Isomeric SMILES

C[N+]1=C2C(=CC(=C1)C(=O)N)C(=CS2)C(=O)NC(CC3=CC=CC=C3)CO

InChI

InChI=1S/C19H19N3O3S/c1-22-9-13(17(20)24)8-15-16(11-26-19(15)22)18(25)21-14(10-23)7-12-5-3-2-4-6-12/h2-6,8-9,11,14,23H,7,10H2,1H3,(H2-,20,21,24,25)/p+1